TQ0
Summary
| Name: | (2,4-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone |
| Formula: | C16 H16 N O5 |
| Formal charge: | 1 |
| Formula weight: | 302.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [5-(2,4-dimethylphenyl)carbonyl-3-methoxy-2-oxidanyl-phenyl]-oxidanyl-oxidanylidene-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15NO5/c1-9-4-5-12(10(2)6-9)15(18)11-7-13(17(20)21)16(19)14(8-11)22-3/h4-8H,1-3H3,(H-,18,19,20,21)/p+1 |
| InChIKey | InChI | 1.06 | DDLHFEDFRNYHQX-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(c1O)[N+](O)=O)C(=O)c2ccc(C)cc2C |
| SMILES | CACTVS | 3.385 | COc1cc(cc(c1O)[N+](O)=O)C(=O)c2ccc(C)cc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)O |
